Iron in PDB 2d40: Crystal Structure of Z3393 From Escherichia Coli O157:H7

All present enzymatic activity of Crystal Structure of Z3393 From Escherichia Coli O157:H7:
1.13.11.4;

The structure of Crystal Structure of Z3393 From Escherichia Coli O157:H7, PDB code: 2d40 was solved by M.A.Adams, Z.Jia, Montreal-Kingston Bacterial Structural Genomicsinitiative (Bsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.50 / 2.41
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	54.134, 76.075, 85.464, 114.08, 94.93, 108.11
R / Rfree (%)	17.3 / 24.9

The binding sites of Iron atom in the Crystal Structure of Z3393 From Escherichia Coli O157:H7 (pdb code 2d40). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Z3393 From Escherichia Coli O157:H7, PDB code: 2d40:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Z3393 From Escherichia Coli O157:H7


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Z3393 From Escherichia Coli O157:H7 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:27.1 occ:1.00 O A:HOH1009 2.0 33.3 1.0 NE2 A:HIS104 2.1 32.5 1.0 NE2 A:HIS106 2.1 21.8 1.0 NE2 A:HIS145 2.2 19.5 1.0 O A:HOH1081 2.5 24.3 1.0 O A:HOH1036 2.8 20.2 1.0 CE1 A:HIS104 2.9 27.7 1.0 CD2 A:HIS106 3.0 24.1 1.0 CD2 A:HIS145 3.1 20.9 1.0 CD2 A:HIS104 3.2 30.6 1.0 CE1 A:HIS106 3.2 13.3 1.0 CE1 A:HIS145 3.3 26.1 1.0 O A:HOH1095 3.8 27.4 1.0 ND1 A:HIS104 4.1 32.4 1.0 CG A:HIS106 4.2 19.0 1.0 CG A:HIS104 4.2 28.9 1.0 ND1 A:HIS106 4.3 17.6 1.0 CG A:HIS145 4.3 25.4 1.0 ND1 A:HIS145 4.4 26.1 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Z3393 From Escherichia Coli O157:H7


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Z3393 From Escherichia Coli O157:H7 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1002 b:26.8 occ:1.00 NE2 B:HIS106 2.2 22.0 1.0 NE2 B:HIS145 2.3 29.9 1.0 CE1 B:HIS104 2.7 45.5 1.0 NE2 B:HIS104 2.8 47.5 1.0 O B:HOH1061 3.0 31.1 1.0 CE1 B:HIS106 3.2 26.8 1.0 CE1 B:HIS145 3.2 36.3 1.0 CD2 B:HIS106 3.3 17.3 1.0 CD2 B:HIS145 3.3 21.5 1.0 ND1 B:HIS104 3.8 45.1 1.0 CD2 B:HIS104 4.0 45.2 1.0 ND1 B:HIS106 4.3 25.8 1.0 CG B:HIS106 4.4 24.0 1.0 ND1 B:HIS145 4.4 24.9 1.0 CG B:HIS145 4.4 23.5 1.0 CG B:HIS104 4.5 37.1 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Z3393 From Escherichia Coli O157:H7


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Z3393 From Escherichia Coli O157:H7 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1003 b:31.3 occ:1.00 O C:HOH1035 2.2 37.6 1.0 NE2 C:HIS145 2.3 34.0 1.0 NE2 C:HIS104 2.4 50.7 1.0 NE2 C:HIS106 2.4 24.2 1.0 O C:HOH1015 2.8 30.8 1.0 CE1 C:HIS106 3.0 30.6 1.0 CE1 C:HIS104 3.2 42.5 1.0 CD2 C:HIS145 3.2 31.0 1.0 CE1 C:HIS145 3.3 41.1 1.0 CD2 C:HIS104 3.4 47.2 1.0 CD2 C:HIS106 3.7 25.5 1.0 ND1 C:HIS106 4.2 26.8 1.0 ND1 C:HIS104 4.4 41.0 1.0 ND1 C:HIS145 4.4 34.9 1.0 CG C:HIS145 4.4 27.8 1.0 CG C:HIS104 4.5 45.2 1.0 CG C:HIS106 4.6 26.8 1.0 O C:HOH1079 4.8 29.4 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Z3393 From Escherichia Coli O157:H7


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Z3393 From Escherichia Coli O157:H7 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe1004 b:31.3 occ:1.00 NE2 D:HIS104 2.0 41.7 1.0 NE2 D:HIS145 2.1 24.8 1.0 NE2 D:HIS106 2.3 19.0 1.0 O D:HOH1026 2.6 34.9 1.0 O D:HOH1101 2.8 28.6 1.0 CE1 D:HIS104 3.0 36.5 1.0 CD2 D:HIS104 3.0 37.3 1.0 CD2 D:HIS145 3.1 27.6 1.0 CE1 D:HIS145 3.1 28.7 1.0 CE1 D:HIS106 3.3 16.8 1.0 CD2 D:HIS106 3.3 19.5 1.0 O D:HOH1080 3.5 26.1 1.0 ND1 D:HIS104 4.1 32.1 1.0 CG D:HIS104 4.2 31.1 1.0 ND1 D:HIS145 4.2 26.6 1.0 CG D:HIS145 4.3 28.7 1.0 ND1 D:HIS106 4.4 20.9 1.0 CG D:HIS106 4.5 27.7 1.0

M.A.Adams, V.K.Singh, B.O.Keller, Z.Jia. Structural and Biochemical Characterization of Gentisate 1,2-Dioxygenase From Escherichia Coli O157:H7 Mol.Microbiol. V. 61 1469 2006.
ISSN: ISSN 0950-382X
PubMed: 16930152
DOI: 10.1111/J.1365-2958.2006.05334.X